1-(6-chloranyl-2-pentan-3-ylsulfanyl-1H-benzimidazol-5-yl)piperidin-3-amine dihydrochloride

Systemtic Name: 1-(6-chloranyl-2-pentan-3-ylsulfanyl-1H-benzimidazol-5-yl)piperidin-3-amine dihydrochloride Openeye Name: 1-[6-chloro-2-(1-ethylpropylsulfanyl)-1H-benzimidazol-5-yl]piperidin-3-amine dihydrochloride CAS Name: 1-[6-chloro-2-(pentan-3-ylthio)-1H-benzimidazol-5-yl]-3-piperidinamine dihydrochloride IUPAC Name: 1-(6-chloro-2-pentan-3-ylsulfanyl-1H-benzimidazol-5-yl)piperidin-3-amine dihydrochloride Traditional Name: [1-[6-chloro-2-(1-ethylpropylthio)-1H-benzimidazol-5-yl]-3-piperidyl]amine dihydrochloride Formula: C17H27Cl3N4S MolecularWeight: 425.84708

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCCC(C3)N.Cl.Cl

Isomeric SMILES

CCC(CC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCCC(C3)N.Cl.Cl

InChI

InChI=1S/C17H25ClN4S.2ClH/c1-3-12(4-2)23-17-20-14-8-13(18)16(9-15(14)21-17)22-7-5-6-11(19)10-22;;/h8-9,11-12H,3-7,10,19H2,1-2H3,(H,20,21);2*1H